4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
TL;DR: 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one (CAS 57427-86-8) is a chemical compound with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Also Known As: Maybridge1_001084, NCIOpen2_003973, (Z)-4-(4-Chlorobenzylidene)-2-phenyloxazol-5(4H)-one, 4-(4-chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one, NCI60_041617
| Molecular Formula | C16H10ClNO2 |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.04 |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 57427-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)O2 |
| InChIKey | PKMDOGQJFLVZEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one (CAS 57427-86-8), with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol. IUPAC: 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
Property Insights of 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
The XLogP value of 4.2 indicates that 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one?
The CAS number of 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one is 57427-86-8.
What is the molecular formula of 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one?
The molecular formula of 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one is C16H10ClNO2.
What is the molecular weight of 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one?
The molecular weight of 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one is 283.04 g/mol.
Where can I buy 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one?
You can request a quote for 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorobenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.